(Phenylsulfonyl)acetonitrile
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(Phenylsulfonyl)acetonitrile
structure -
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CAS No:
7605-28-9
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Formula:
C8H7NO2S
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Chemical Name:
(Phenylsulfonyl)acetonitrile
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Synonyms:
Acetonitrile,2-(phenylsulfonyl)-;Acetonitrile,(phenylsulfonyl)-;2-(Phenylsulfonyl)acetonitrile;Cyano(phenylsulfonyl)methane;(Phenylsulfonyl)acetonitrile;(Benzenesulfonyl)acetonitrile;Cyanomethyl phenyl sulfone;NSC 51007;2-(Benzenesulfonyl)acetonitrile;65950-77-8
- Categories:
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CAS No:
(Phenylsulfonyl)acetonitrile Basic Attributes
181.21
181.21
231-515-0
51007
DTXSID40226949
2926909090
Safety Information
Ⅲ
6.1
3439
3
6.1
S36/37/39-S45
T: Toxic;
P261-P280-P301 + P310-P311
H301 + H311 + H331
|Danger|H301 (88.89%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:181.21
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.01974964
Monoisotopic Mass:181.01974964
Topological Polar Surface Area:66.3
Heavy Atom Count:12
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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